First-principles investigation of the elastic, electronic, and thermodynamic properties of a nitrogen-doped (Ti0.75W0.25)C solid solution

► N addition increases the thermal stability of (Ti0.75W0.25)C at T<2000 K. ► N resulted in low mechanical properties at working temperature due to phonon effect. ► The one “extra” electron from N occupies near Fermi level in anti-bonding orbit.